(Q104968248)

English

(E,6R)-6-[(3R,5R,9S,10R,14S,17R)-3-hydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(3-hydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

468.323959888 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₄

0 references

canonical SMILES

O=C(O)C(=CC(=O)CC(C)C1(C2=CCC3C(=CCC4C(C)(C)C(O)CCC34C)C2(C)CC1)C)C

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isomeric SMILES

C/C(=C\C(=O)C[C@@H](C)[C@@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O

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found in taxon

Abies forrestii

1 reference

stated in

Abiesatrines A-J: anti-inflammatory and antitumor triterpenoids from Abies georgei Orr.

Identifiers

InChI

InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19,21,23,25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,21-,23+,25-,28-,29-,30+/m1/s1

0 references

InChIKey

CQTHQCHQGAZGNF-XGPPAXDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CQTHQCHQGAZGNF-XGPPAXDNSA-N

(Q104968248)

(E,6R)-6-[(3R,5R,9S,10R,14S,17R)-3-hydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-2-enoic acid

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