(Q105212577)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

484.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₃

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Santolina oblongifolia

1 reference

stated in

Tetracyclic triterpenes and nerolidol derivatives from Santolina oblongifolia

Identifiers

InChI

InChI=1S/C32H52O3/c1-21(2)11-10-12-22(3)32(34)20-19-31(9)26(32)14-13-25-29(7)17-16-27(35-23(4)33)28(5,6)24(29)15-18-30(25,31)8/h24-27,34H,1,3,10-20H2,2,4-9H3/t24-,25+,26-,27-,29-,30+,31+,32-/m0/s1

0 references

InChIKey

POOYEBUPLHDWHD-PMCWLVPMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POOYEBUPLHDWHD-PMCWLVPMSA-N

(Q105212577)

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

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