(Q105117600)

English

(4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

(4aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CC2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C)C

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isomeric SMILES

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O

0 references

found in taxon

Phaseolus vulgaris

1 reference

stated in

Phytosterols and Triterpenes in the Roots of the “Kidney Bean” (Phaseolus vulgarisL.)

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)17-24(25)33/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26-,27-,28+,29+,30+/m0/s1

0 references

InChIKey

IPZBDVYNLAGJFF-KSSUOHJISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IPZBDVYNLAGJFF-KSSUOHJISA-N

(Q105117600)

(4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one

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