(Q105346494)

English

(4aR,5R,6aR,6bS,8aR,12aS,14aS,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6alpha-Hydroxy-12-oleanen-3-one

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=C1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CC(O)C2C1(C)C

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]2C1

0 references

1 reference

Phytochemical investigation of Datura innoxia

1 reference

Phytochemical investigation of Datura innoxia

Identifiers

InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-22,24,31H,10-18H2,1-8H3/t20-,21-,22+,24+,27-,28-,29-,30-/m1/s1

0 references

YCTXVPCDHZMBHX-NFRQACKNSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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