(Q103815841)

English

(1R,3aS,5aR,5bR,8S,9R,11aR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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Statements

instance of

group of stereoisomers

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1 reference

472.355260016 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C(O)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC1

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@]43C)C12

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found in taxon

Phoradendron vernicosum

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stated in

Lupane-Type Triterpenes of Phoradendron vernicosum.

Phoradendron wattii

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stated in

Lupane-Type Triterpenes of Phoradendron vernicosum.

Identifiers

InChI

InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20?,21?,22?,23+,24?,26-,27+,28+,29+,30-/m0/s1

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InChIKey

HXWLKAXCQLXHML-FDQCZKTDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HXWLKAXCQLXHML-FDQCZKTDSA-N

(Q103815841)

(1R,3aS,5aR,5bR,8S,9R,11aR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

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Identifiers

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