(Q104989221)

English

(1R,2S,4aS,4bS,6aS,8S,10aR,10bS,12aS)-8-[(3R)-3-hydroxy-4-methylpent-4-enyl]-1,4b,6a,8,10a,12a-hexamethyl-2,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₂

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canonical SMILES

OC(C(=C)C)CCC1(C)CCC2(C)C3CCC4(C)C(C)C(O)CCC4C3(C)CCC2(C)C1

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isomeric SMILES

C=C(C)[C@H](O)CC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H](O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1

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found in taxon

Aster ageratoides

1 reference

stated in

Two New Tetracyclic Triterpenoids and Other Constituents fromAster Ageratoides var. Oophyllus

Identifiers

InChI

InChI=1S/C30H52O2/c1-20(2)22(31)11-13-26(4)15-18-30(8)25-12-14-28(6)21(3)23(32)9-10-24(28)29(25,7)17-16-27(30,5)19-26/h21-25,31-32H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+/m0/s1

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InChIKey

DUGUOZHQZXSOBI-CQWSXQHKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DUGUOZHQZXSOBI-CQWSXQHKSA-N

(Q104989221)

(1R,2S,4aS,4bS,6aS,8S,10aR,10bS,12aS)-8-[(3R)-3-hydroxy-4-methylpent-4-enyl]-1,4b,6a,8,10a,12a-hexamethyl-2,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol

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