(Q104993979)

English

(1R,3S,6R,9S,14R,15S,18R)-6,10,10,14,15,18,21,21-octamethyl-2-oxahexacyclo[13.8.0.01,3.05,14.06,11.018,23]tricosan-9-ol

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

1 reference

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)C2CC4OC45C6CC(C)(C)CCC6(C)CCC35C)C1(C)C

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)[C@@H](O)CC[C@]5(C)C4C[C@@H]4O[C@@]43C2C1

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found in taxon

Esenbeckia grandiflora

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stated in

Alcaloides β-indolopiridoquinazolínicos de Esenbeckia grandiflora mart. (Rutaceae)

Identifiers

InChI

InChI=1S/C30H50O2/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-19-25(3,4)22(31)10-11-27(19,6)20(28)17-23-30(29,32-23)21(26)18-24/h19-23,31H,9-18H2,1-8H3/t19?,20?,21?,22-,23-,26+,27-,28+,29-,30-/m0/s1

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InChIKey

FEICVHTUVUPNSC-UDRZHNQKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FEICVHTUVUPNSC-UDRZHNQKSA-N

(Q104993979)

(1R,3S,6R,9S,14R,15S,18R)-6,10,10,14,15,18,21,21-octamethyl-2-oxahexacyclo[13.8.0.01,3.05,14.06,11.018,23]tricosan-9-ol

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Identifiers

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