(Q104952780)

English

3beta-(6-O-Palmitoyl-beta-D-glucopyranosyloxy)-5alpha-stigmast-5-en-7-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

[6-[[17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate

1 reference

based on heuristic

inferred from SMILES

828.647919776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₈₈O₈

0 references

canonical SMILES

O=C(OCC1OC(OC2CC3=CC(=O)C4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O)CCCCCCCCCCCCCCC

0 references

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)C2)[C@H](O)[C@@H](O)[C@@H]1O

0 references

Bauhinia purpurea

2 references

Chemical Studies of the Bark of Bauhinia purpurea.

Studies on the Constituents from the Bark ofBauhinia Purpurea

Identifiers

InChI=1S/C51H88O8/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-44(53)57-33-43-46(54)47(55)48(56)49(59-43)58-38-27-29-50(6)37(31-38)32-42(52)45-40-26-25-39(51(40,7)30-28-41(45)50)35(5)23-24-36(9-2)34(3)4/h32,34-36,38-41,43,45-49,54-56H,8-31,33H2,1-7H3/t35-,36-,38+,39-,40+,41+,43-,45+,46-,47+,48-,49-,50+,51-/m1/s1

0 references

CBSXLXZRKUGEKJ-LCJRUYFQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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