(Q104919145)

English

(1S,1'R,4'S,6R,9R,10R,15S)-1'-(2-hydroxypropan-2-yl)-4',9,10,14,14-pentamethylspiro[16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-6,3'-2,7-dioxabicyclo[2.2.1]heptane]-15-ol

group of stereoisomers with the chemical formula C₃₀H₄₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

488.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₅

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canonical SMILES

OC(C)(C)C12OC(C)(CC1)C3(O2)CCC4(C)C3CCC5C4(C)CCC6C(C)(C)C7(O)OCC65CC7

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isomeric SMILES

CC1(C)C2CC[C@]3(C)C(CCC4[C@@]5(CC[C@]43C)O[C@@]3(C(C)(C)O)CC[C@]5(C)O3)[C@@]23CC[C@]1(O)OC3

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found in taxon

Cleome africana

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stated in

Cytotoxic triterpenes from Cleome africana.

Cleome amblyocarpa

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stated in

Cytotoxic triterpenes from Cleome africana.

Identifiers

InChI

InChI=1S/C30H48O5/c1-22(2)19-10-11-24(5)20(27(19)14-16-29(22,32)33-18-27)8-9-21-25(24,6)12-15-28(21)26(7)13-17-30(34-26,35-28)23(3,4)31/h19-21,31-32H,8-18H2,1-7H3/t19?,20?,21?,24-,25-,26+,27-,28-,29+,30-/m1/s1

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InChIKey

AUUULKFBJYAZMX-GNKFPKENSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AUUULKFBJYAZMX-GNKFPKENSA-N

(Q104919145)

(1S,1'R,4'S,6R,9R,10R,15S)-1'-(2-hydroxypropan-2-yl)-4',9,10,14,14-pentamethylspiro[16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-6,3'-2,7-dioxabicyclo[2.2.1]heptane]-15-ol

Statements

Identifiers

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