(2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one

C22H32O8 — CID 177421346

IUPAC(2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one
SMILESCC1=C2O[C@](C)(CC1)C(=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)/C=C\[C@H](O)[C@@H]1OC(C)(C)O[C@@H]21
InChIInChI=1S/C22H32O8/c1-11-9-10-22(6)19(25)18-16(27-21(4,5)29-18)13(24)8-7-12(23)15-17(14(11)30-22)28-20(2,3)26-15/h7-8,12-13,15-18,23-24H,9-10H2,1-6H3/b8-7-/t12-,13-,15-,16-,17-,18+,22+/m0/s1
InChIKeyCFHURRRWRADIDD-MDDPRYKSSA-N
MW424.49 g/mol
LogP1.73
Rot. Bonds

About (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one

(2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one (PubChem CID 177421346) has the molecular formula C22H32O8 and a molecular weight of 424.49 g/mol. Its IUPAC name is (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one.

Molecular Properties

Compound Name(2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one
PubChem CID177421346
Molecular FormulaC22H32O8
Molecular Weight424.49 g/mol
Exact Mass424.21
IUPAC Name(2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one
SMILESCC1=C2O[C@](C)(CC1)C(=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)/C=C\[C@H](O)[C@@H]1OC(C)(C)O[C@@H]21
InChIInChI=1S/C22H32O8/c1-11-9-10-22(6)19(25)18-16(27-21(4,5)29-18)13(24)8-7-12(23)15-17(14(11)30-22)28-20(2,3)26-15/h7-8,12-13,15-18,23-24H,9-10H2,1-6H3/b8-7-/t12-,13-,15-,16-,17-,18+,22+/m0/s1
InChIKeyCFHURRRWRADIDD-MDDPRYKSSA-N
XLogP1.73
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 89411642
(3aR,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 102136876
(2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one
CID 10935151
4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol
CID 72760608
(3aR,6S)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 58635906
(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 58635907
(6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 59963005
[(3aR,4S,7S,7aR)-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl] benzoate
CID 11173791
[(3aR,4R,5R,7aR)-4-benzoyloxy-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] benzoate
CID 11567702
6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one
CID 163525585
(6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 143329157

Frequently Asked Questions

What is the IUPAC name of (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one?
The IUPAC name of (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one (CID 177421346) is (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one.
What is the SMILES notation for (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one?
The canonical SMILES for (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one is CC1=C2O[C@](C)(CC1)C(=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)/C=C\[C@H](O)[C@@H]1OC(C)(C)O[C@@H]21.
What is the InChIKey of (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one?
The InChIKey is CFHURRRWRADIDD-MDDPRYKSSA-N. The full InChI is InChI=1S/C22H32O8/c1-11-9-10-22(6)19(25)18-16(27-21(4,5)29-18)13(24)8-7-12(23)15-17(14(11)30-22)28-20(2,3)26-15/h7-8,12-13,15-18,23-24H,9-10H2,1-6H3/b8-7-/t12-,13-,15-,16-,17-,18+,22+/m0/s1.
What are the key properties of (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one?
(2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one has a molecular weight of 424.49 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7S,8Z,10S,11S,15R,17R)-7,10-dihydroxy-4,4,13,13,17,20-hexamethyl-3,5,12,14,21-pentaoxatetracyclo[15.3.1.02,6.011,15]henicosa-1(20),8-dien-16-one is sourced from PubChem (CID 177421346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).