17-(Furan-3-yl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate

HCID 99980

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 10410-83-0
Standard SMILES: CC(=O)OC1CC2(C)C(c3ccoc3)CC3OC32C2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=CC3(C)C12
InChIKey: AJTULIWKBMDPCJ-UHFFFAOYSA-N
Molecular formula: C28H32O7
Average molar mass: 480.5 g/mol
Monoisotopic mass: 480.21480336

Names & identifiers

Preferred name: 17-(Furan-3-yl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate
IUPAC: [6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-9-yl] acetate

Names & synonyms

17-(furan-3-yl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate[6-(Furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-9-yl] acetateNSC302036NSC 302036anthothecol [M+H]+SCHEMBL30383804DTXSID20908796NSC-302036(11alpha,13alpha,14beta,15beta,17alpha)-11-(Acetyloxy)-14,15:21,23-diepoxy-6-hydroxy-4,4,8-trimethyl-24-norchola-1,5,20,22-tetraene-3,7-dione24-Norchola-1,5,20,22-tetraene-3,7-dione, 11-(acetyloxy)-14,15:21,23-diepoxy-6-hydroxy-4,4,8-trimethyl-, (11alpha,13alpha,14beta,15beta,17alpha)-XA161655NS00134338

Database identifiers

CAS: 10410-83-0
PubChem CID: 99980
DTXSID: DTXSID20908796

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 106 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 35
Formal charge: 0
Complexity: 1,120

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…