(Q105142329)

English

[(3S,5S,8R,9R,10S,13R,14R,17S)-17-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-8,10,14-trimethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[17-(5-Hydroxy-6-methylhepta-1,6-dien-2-yl)-8,10,14-trimethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C(C(=C)CCC(O)C(=C)C)CCC43C)C1)C

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isomeric SMILES

C=C(CC[C@@H](O)C(=C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C[C@@H]3CC[C@]12C

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found in taxon

Dittrichia viscosa

1 reference

stated in

Triterpenoids from Dittrichia viscosa

Identifiers

InChI

InChI=1S/C30H48O3/c1-19(2)26(32)10-8-20(3)24-14-17-29(6)25(24)9-11-27-28(5)15-13-23(33-21(4)31)18-22(28)12-16-30(27,29)7/h22-27,32H,1,3,8-18H2,2,4-7H3/t22-,23-,24+,25+,26+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

KKRMJZQKIRQRLF-NTSWJMCSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KKRMJZQKIRQRLF-NTSWJMCSSA-N

(Q105142329)

[(3S,5S,8R,9R,10S,13R,14R,17S)-17-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-8,10,14-trimethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

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