(Q105288637)

English

(3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol

group of stereoisomers with the chemical formula C₃₀H₅₀O₂

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

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inferred from

oleanane triterpenoid

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)C(O)CC43C)C1(C)C

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isomeric SMILES

CC1(C)CC[C@]2(C)[C@@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Calendula officinalis

1 reference

stated in

Mastering analytical challenges for the characterization of pentacyclic triterpene mono- and diesters of Calendula officinalis flowers by non-aqueous C30 HPLC and hyphenation with APCI-QTOF-MS.

Trattinnickia burserifolia

1 reference

stated in

Phytochemistry of Trattinnickia burserifolia, T. rhoifolia, and Dacryodes hopkinsii: chemosystematic implications

Identifiers

InChI

InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22?,23-,24-,27-,28-,29+,30+/m0/s1

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InChIKey

VLRYIIPJIVGFIV-XSDXNTANSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLRYIIPJIVGFIV-XSDXNTANSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VLRYIIPJIVGFIV-XSDXNTANSA-N

(Q105288637)

(3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol

Statements

Identifiers

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