(Q105312576)

English

(3S,3aR,5aR,5bR,7aS,11S,11aS,11bS,12R,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-11,12-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-hexadecahydrocyclopenta[a]chrysene-11,12-diol

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Hopane-1alpha,11alpha,22-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₃

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canonical SMILES

OC1CC2C3(C)CCC(C3CCC2(C)C4(C)CCC5C(C)(C)CCC(O)C5(C)C14)C(O)(C)C

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isomeric SMILES

CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3CC[C@]21C

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found in taxon

Cheiropleuria bicuspis

1 reference

stated in

Fern constituents: Triterpenoids isolated from the leaves of Cheiropleuria bicuspis.

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2)13-12-23(32)30(8)21(25)11-16-29(7)24(30)20(31)17-22-27(5)14-9-18(26(3,4)33)19(27)10-15-28(22,29)6/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1

0 references

InChIKey

WTIUITBIDPOHKN-COOQEHHOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTIUITBIDPOHKN-COOQEHHOSA-N

(Q105312576)

(3S,3aR,5aR,5bR,7aS,11S,11aS,11bS,12R,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-11,12-diol

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