(Q115969800)

English

(3a,5a,5b,8,8,11a-Hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₉H₅₈O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

590.433510336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₈O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(CCC5(C)CCC43C)C(C)C)C1(C)C)C=CC6=CC=C(O)C(O)=C6

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found in taxon

Monteverdia cuzcoina

1 reference

stated in

Isolation, Structural Modification, and HIV Inhibition of Pentacyclic Lupane-Type Triterpenoids from Cassine xylocarpa and Maytenus cuzcoina.

Identifiers

InChI

InChI=1S/C39H58O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23-24,26-27,30-32,34,40-41H,11,13,15-22H2,1-8H3

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InChIKey

GNSBJLIUCRFMQF-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

GNSBJLIUCRFMQF-UHFFFAOYSA-N

(Q115969800)

(3a,5a,5b,8,8,11a-Hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) 3-(3,4-dihydroxyphenyl)prop-2-enoate

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