(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

C141H204N8O37 — CID 161013031

About (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid (PubChem CID 161013031) has the molecular formula C141H204N8O37 and a molecular weight of 2603.20 g/mol. Its IUPAC name is (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid.

Molecular Properties

• Compound Name: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
• PubChem CID: 161013031
• Molecular Formula: C141H204N8O37
• Molecular Weight: 2603.20 g/mol
• Exact Mass: 2601.43
• IUPAC Name: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
• SMILES: C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(CCCNC(=O)OCC3c4ccccc4-c4ccccc43)CCCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O)CC2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O.C[C@@H]1[C@H](O)[C@@H](C)/C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(CCCN)CCCN)[C@@H]2O)CC2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)N1CCN(C)CC1
• InChI: InChI=1S/C83H107N3O21.C58H97N5O16/c1-51-27-15-13-11-9-7-5-6-8-10-12-14-16-28-58(46-72-74(79(97)98)71(92)48-83(101,107-72)47-57(89)44-70(91)69(90)38-37-55(87)43-56(88)45-73(93)104-53(3)52(2)76(51)94)106-80-78(96)75(77(95)54(4)105-80)86(41-25-39-84-81(99)102-49-67-63-33-21-17-29-59(63)60-30-18-22-34-64(60)67)42-26-40-85-82(100)103-50-68-65-35-23-19-31-61(65)62-32-20-24-36-66(62)68;1-38-20-16-14-12-10-8-6-7-9-11-13-15-17-21-45(78-57-55(73)52(54(72)41(4)77-57)62(26-18-24-59)27-19-25-60)35-49-51(56(74)63-30-28-61(5)29-31-63)48(69)37-58(75,79-49)36-44(66)33-47(68)46(67)23-22-42(64)32-43(65)34-50(70)76-40(3)39(2)53(38)71/h5-24,27-36,51-58,67-72,74-78,80,87-92,94-96,101H,25-26,37-50H2,1-4H3,(H,84,99)(H,85,100)(H,97,98);6-17,20-21,38-49,51-55,57,64-69,71-73,75H,18-19,22-37,59-60H2,1-5H3/b6-5+,9-7+,10-8+,13-11+,14-12+,27-15+,28-16+;7-6+,10-8+,11-9+,14-12+,15-13+,20-16-,21-17+/t51-,52-,53-,54+,55+,56+,57-,58-,69+,70+,71-,72?,74+,75-,76+,77+,78-,80-,83+;38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48-,49?,51+,52-,53+,54+,55-,57-,58+/m00/s1
• InChIKey: TXJJIKAOHLIHSC-GDKGOADHSA-N
• XLogP: 8.35
• TPSA: 708.61 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2603.20
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid?

The IUPAC name of (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid (CID 161013031) is (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid.

What is the SMILES notation for (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid?

The canonical SMILES for (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid is C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(CCCNC(=O)OCC3c4ccccc4-c4ccccc43)CCCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O)CC2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O.C[C@@H]1[C@H](O)[C@@H](C)/C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(CCCN)CCCN)[C@@H]2O)CC2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)N1CCN(C)CC1.

What is the InChIKey of (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid?

The InChIKey is TXJJIKAOHLIHSC-GDKGOADHSA-N. The full InChI is InChI=1S/C83H107N3O21.C58H97N5O16/c1-51-27-15-13-11-9-7-5-6-8-10-12-14-16-28-58(46-72-74(79(97)98)71(92)48-83(101,107-72)47-57(89)44-70(91)69(90)38-37-55(87)43-56(88)45-73(93)104-53(3)52(2)76(51)94)106-80-78(96)75(77(95)54(4)105-80)86(41-25-39-84-81(99)102-49-67-63-33-21-17-29-59(63)60-30-18-22-34-64(60)67)42-26-40-85-82(100)103-50-68-65-35-23-19-31-61(65)62-32-20-24-36-66(62)68;1-38-20-16-14-12-10-8-6-7-9-11-13-15-17-21-45(78-57-55(73)52(54(72)41(4)77-57)62(26-18-24-59)27-19-25-60)35-49-51(56(74)63-30-28-61(5)29-31-63)48(69)37-58(75,79-49)36-44(66)33-47(68)46(67)23-22-42(64)32-43(65)34-50(70)76-40(3)39(2)53(38)71/h5-24,27-36,51-58,67-72,74-78,80,87-92,94-96,101H,25-26,37-50H2,1-4H3,(H,84,99)(H,85,100)(H,97,98);6-17,20-21,38-49,51-55,57,64-69,71-73,75H,18-19,22-37,59-60H2,1-5H3/b6-5+,9-7+,10-8+,13-11+,14-12+,27-15+,28-16+;7-6+,10-8+,11-9+,14-12+,15-13+,20-16-,21-17+/t51-,52-,53-,54+,55+,56+,57-,58-,69+,70+,71-,72?,74+,75-,76+,77+,78-,80-,83+;38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48-,49?,51+,52-,53+,54+,55-,57-,58+/m00/s1.

What are the key properties of (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid?

(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid has a molecular weight of 2603.20 g/mol, XLogP of 8.35, 26 rotatable bonds, 25 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis(3-aminopropyl)amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-36-(4-methylpiperazine-1-carbonyl)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-13-one;(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[bis[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid is sourced from PubChem (CID 161013031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).