(Q105367506)

English

(1S)-1beta,5bbeta,8,8,11abeta,13aalpha-Hexamethyl-3abeta-isopropyl-2,3,3a,4,5b,6,7,7aalpha,8,9,10,11,11a,11balpha,12,13,13a,13bbeta-octadecahydro-1H-cyclopenta[a]chrysen-9beta-ol acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1,5b,8,8,11a,13a-Hexamethyl-3a-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C(=CCC5(CCC(C)C45)C(C)C)C3(C)CCC2C1(C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(C)C)CC[C@H](C)[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C

0 references

found in taxon

Euphorbia stygiana

2 references

stated in

Pentacyclic triterpenes from Euphorbia stygiana.

stated in

Pentacyclic triterpenes from Euphorbia stygiana.

Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)32-18-10-21(3)27(32)31(9)16-12-24-29(7)17-14-26(34-22(4)33)28(5,6)23(29)11-15-30(24,8)25(31)13-19-32/h13,20-21,23-24,26-27H,10-12,14-19H2,1-9H3/t21-,23-,24+,26-,27-,29-,30+,31+,32+/m0/s1

0 references

InChIKey

YXDJJHAAULKVPG-PVDRCGPPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YXDJJHAAULKVPG-PVDRCGPPSA-N

1 reference

(Q105367506)

(1S)-1beta,5bbeta,8,8,11abeta,13aalpha-Hexamethyl-3abeta-isopropyl-2,3,3a,4,5b,6,7,7aalpha,8,9,10,11,11a,11balpha,12,13,13a,13bbeta-octadecahydro-1H-cyclopenta[a]chrysen-9beta-ol acetate

Statements

Identifiers

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