beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7-methoxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl, 6-acetate

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Basic information

CAS: 87396-30-3
Standard SMILES: CO[C@@H]1C=C2[C@H](CCC(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@@]2(C)CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)C[C@@]3(C)C12
InChIKey: PEVRNEDRRNBORS-DXOZOBJKSA-N
Molecular formula: C44H72O13
Average molar mass: 809 g/mol
Monoisotopic mass: 808.49729235

Overview

Hebevinoside I has been reported in Hebeloma vinosophyllum with data available.

Names & identifiers

Preferred name: beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7-methoxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl, 6-acetate
IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate

Names & synonyms

Hebevinoside I87396-30-3beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7-methoxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl, 6-acetateDTXSID101007537(4R,7R,8xi)-7-Methoxy-9beta,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16alpha-yl 6-O-acetyl-beta-D-glucopyranoside[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate7-Methoxy-9,10,14-trimethyl-1-(pentopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl 6-O-acetylhexopyranoside

Database identifiers

CAS: 87396-30-3
PubChem CID: 159085
DTXSID: DTXSID101007537

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 194 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 13
Rotatable bonds: 12
Heavy atoms: 57
Formal charge: 0
Complexity: 1,500

Related reactions

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Compound notes

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