(Q104945883)

English

(1S,6R,9R,10R,15S)-6-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-6,15-diol

group of stereoisomers with the chemical formula C₃₀H₅₀O₅

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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

490.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₅

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canonical SMILES

OC(C)(C)C1OC(C)(CC1)C2(O)CCC3(C)C2CCC4C3(C)CCC5C(C)(C)C6(O)OCC54CC6

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isomeric SMILES

CC(C)(O)[C@@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)C2CCC2[C@]45CC[C@](O)(OC4)C(C)(C)C5CC[C@]23C)O1

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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/C30H50O5/c1-23(2)19-10-12-25(5)20(28(19)15-17-30(23,33)34-18-28)8-9-21-26(25,6)14-16-29(21,32)27(7)13-11-22(35-27)24(3,4)31/h19-22,31-33H,8-18H2,1-7H3/t19?,20?,21?,22-,25+,26+,27-,28+,29+,30-/m0/s1

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InChIKey

BTVMLQYJJPMVTG-WFVGIRHMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BTVMLQYJJPMVTG-WFVGIRHMSA-N

(Q104945883)

(1S,6R,9R,10R,15S)-6-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-6,15-diol

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Identifiers

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