(Q105168998)

English

[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-Hydroxyolean-12-en-28-yl acetate

1 reference

based on heuristic

inferred from SMILES

(10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl)methyl 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(OCC12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1)C

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isomeric SMILES

CC(=O)OC[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

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found in taxon

Diospyros maritima

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stated in

Chemical constituents from the stems of Diospyros maritima

Salvia glutinosa

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stated in

Terpenoids from Salvia glutinosa

Salvia tchihatcheffii

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stated in

Diterpenoids from the roots of Salvia sclarea

Identifiers

InChI

InChI=1S/C32H52O3/c1-21(33)35-20-32-17-15-27(2,3)19-23(32)22-9-10-25-29(6)13-12-26(34)28(4,5)24(29)11-14-31(25,8)30(22,7)16-18-32/h9,23-26,34H,10-20H2,1-8H3/t23-,24-,25+,26-,29-,30+,31+,32+/m0/s1

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InChIKey

MOMZFICIDJEWQF-NEIIXNPVSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105168998)

[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate

Statements

Identifiers

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