HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

[(2R,3S,4R,5R,6R)-3-acetyloxy-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate

HCID 180967
New noteNew reactionRequest quotes
Print preview
Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
101365-10-0
Standard SMILES
CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@@]3(C)C4[C@H](O)C=C5[C@H](CCC(O[C@@H]6OC[C@@H](OC(C)=O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@H](C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
InChIKey
CASUNJDNTPMYBY-MYXCKKJYSA-N
Molecular formula
C47H74O15
Average molar mass
879.1 g/mol
Monoisotopic mass
878.50277165

Overview

CASUNJDNTPMYBY-MYXCKKJYSA-N has been reported in Hebeloma vinosophyllum with data available.

Names & identifiers

Preferred name
[(2R,3S,4R,5R,6R)-3-acetyloxy-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
IUPAC
[(2R,3S,4R,5R,6R)-3-acetyloxy-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate

Names & synonyms

Hebevinoside VIII101365-10-0

Database identifiers

CAS
101365-10-0
PubChem CID
180967

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
217 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
15
Rotatable bonds
15
Heavy atoms
62
Formal charge
0
Complexity
1,710

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes