(1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene

C33H52O2 — CID 21136284

About (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene

(1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene (PubChem CID 21136284) has the molecular formula C33H52O2 and a molecular weight of 480.78 g/mol. Its IUPAC name is (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene.

Molecular Properties

• Compound Name: (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene
• PubChem CID: 21136284
• Molecular Formula: C33H52O2
• Molecular Weight: 480.78 g/mol
• Exact Mass: 480.40
• IUPAC Name: (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene
• SMILES: CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC6OC(C)(C)OC[C@@]6(C)C5CC[C@]43C)[C@H]2C1
• InChI: InChI=1S/C33H52O2/c1-27(2)16-17-29(5)18-19-32(8)22(23(29)20-27)10-11-25-30(6)14-13-26-31(7,21-34-28(3,4)35-26)24(30)12-15-33(25,32)9/h10,16-17,23-26H,11-15,18-21H2,1-9H3/t23-,24?,25-,26?,29-,30+,31+,32-,33-/m1/s1
• InChIKey: QWHUUHNOHLUIBU-DEZPNWJJSA-N
• XLogP: 8.72
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.78
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene?

The IUPAC name of (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene (CID 21136284) is (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene.

What is the SMILES notation for (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene?

The canonical SMILES for (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene is CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC6OC(C)(C)OC[C@@]6(C)C5CC[C@]43C)[C@H]2C1.

What is the InChIKey of (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene?

The InChIKey is QWHUUHNOHLUIBU-DEZPNWJJSA-N. The full InChI is InChI=1S/C33H52O2/c1-27(2)16-17-29(5)18-19-32(8)22(23(29)20-27)10-11-25-30(6)14-13-26-31(7,21-34-28(3,4)35-26)24(30)12-15-33(25,32)9/h10,16-17,23-26H,11-15,18-21H2,1-9H3/t23-,24?,25-,26?,29-,30+,31+,32-,33-/m1/s1.

What are the key properties of (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene?

(1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene has a molecular weight of 480.78 g/mol, XLogP of 8.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene is sourced from PubChem (CID 21136284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).