(Q104913085)

English

(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-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-4,9-diol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aS,4S,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-4,9-diol

1 reference

1 reference

C₃₀H₅₀O₂

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)C(O)CC43C)C1(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

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found in taxon

Stauntonia yaoshanensis

1 reference

stated in

Anti-HIV-1 protease triterpenoids from Stauntonia obovatifoliola Hayata subsp. intermedia

Identifiers

InChI

InChI=1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24-,25-,27-,28+,29+,30+/m0/s1

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InChIKey

AJBZENLMTKDAEK-RYBDQPNLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AJBZENLMTKDAEK-RYBDQPNLSA-N

1 reference

(Q104913085)

(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-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-4,9-diol

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Identifiers

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