(Q105245382)

English

(10-Benzoyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicen-2-yl)methyl benzoate

group of stereoisomers with the chemical formula C₄₄H₅₆O₄

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Statements

instance of

group of stereoisomers

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subclass of

multiflorane triterpenoid

1 reference

inferred from

multiflorane triterpenoid

mass

648.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₆O₄

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canonical SMILES

O=C(OCC1(C)CCC2(C)CCC3(C4=CCC5C(C4=CCC3(C)C2C1)(C)CCC(OC(=O)C=6C=CC=CC6)C5(C)C)C)C=7C=CC=CC7

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Identifiers

InChI

InChI=1S/C44H56O4/c1-39(2)34-19-18-33-32(42(34,5)22-21-36(39)48-38(46)31-16-12-9-13-17-31)20-23-44(7)35-28-40(3,24-25-41(35,4)26-27-43(33,44)6)29-47-37(45)30-14-10-8-11-15-30/h8-18,20,34-36H,19,21-29H2,1-7H3

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InChIKey

RTSZUVCSDUONDF-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RTSZUVCSDUONDF-UHFFFAOYSA-N

(Q105245382)

(10-Benzoyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicen-2-yl)methyl benzoate

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