(Q104989352)

English

(1S,2R,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-10-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picene-2-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picene-2-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

O=CC1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

0 references

isomeric SMILES

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

0 references

found in taxon

Ixeris chinensis

1 reference

stated in

Composite Constituents: Thirty-Nine Triterpenoids Including Two Novel Compounds from Ixeris chinensis.

Identifiers

InChI

InChI=1S/C30H50O2/c1-19-20(18-31)10-13-27(4)16-17-29(6)21(25(19)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h18-25,32H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1

0 references

InChIKey

DUOLCIHZBCRBTG-ULVCUVGISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DUOLCIHZBCRBTG-ULVCUVGISA-N

(Q104989352)

(1S,2R,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-10-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picene-2-carbaldehyde

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Identifiers

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