(Q105026382)

English

(3S,8S,9S,10R,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-8,10,13-trimethyl-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

17-(5-Ethyl-6-methylhept-3-en-2-yl)-8,10,13-trimethyl-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CC2=CCC3(C)C(CCC4(C)C(CCC34)C(C=CC(CC)C(C)C)C)C2(C)CC1

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isomeric SMILES

CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

0 references

found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Anti-inflammatory benzenoids from Antrodia camphorata.

Manihot Esculenta

1 reference

stated in

New cytotoxic triterpene acids from aboveground parts of Manihot esculenta from the Suriname rainforest.

Identifiers

InChI

InChI=1S/C30H50O/c1-8-22(20(2)3)10-9-21(4)25-11-12-26-29(25,6)18-15-27-28(5)17-14-24(31)19-23(28)13-16-30(26,27)7/h9-10,13,20-22,24-27,31H,8,11-12,14-19H2,1-7H3/b10-9+/t21-,22-,24+,25-,26-,27-,28+,29-,30+/m1/s1

0 references

InChIKey

HDJHBDFXQMIPJD-GXRZYGKRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HDJHBDFXQMIPJD-GXRZYGKRSA-N

1 reference

(Q105026382)

(3S,8S,9S,10R,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-8,10,13-trimethyl-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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