(Q105125995)

English

(1R,3aR,3bR,7R)-1,7-dihydroxy-1-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6-tetramethyl-dodecahydro-2H-cyclopenta[a]phenanthren-9a-yl

group of stereoisomers with the chemical formula C₂₉H₄₉O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

461.363085048 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₉O₄

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canonical SMILES

OC1CC[C]2C(CCC3(C)C2CCC4C(O)(CCC43C)C5(OC(CC5)C(O)(C)C)C)C1(C)C

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isomeric SMILES

CC(C)(O)C1CC[C@@](C)([C@@]2(O)CC[C@]3(C)C2CCC2[C]4CC[C@@H](O)C(C)(C)C4CC[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/C29H49O4/c1-24(2)19-12-14-26(5)20(18(19)8-11-22(24)30)9-10-21-27(26,6)16-17-29(21,32)28(7)15-13-23(33-28)25(3,4)31/h19-23,30-32H,8-17H2,1-7H3/t19?,20?,21?,22-,23?,26-,27-,28+,29-/m1/s1

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InChIKey

JEDNLJZPCBQXBM-XAZQRVJJSA-N

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(Q105125995)

(1R,3aR,3bR,7R)-1,7-dihydroxy-1-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6-tetramethyl-dodecahydro-2H-cyclopenta[a]phenanthren-9a-yl

Statements

Identifiers

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