(Q105172701)

English

(3R,5R,8S,10S,13R,14S,17S)-3-methoxy-4,4,10,13,14-pentamethyl-17-[(2R,4S)-4,5,5,6-tetramethylhept-6-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-methoxy-3a,6,6,9a,11a-pentamethyl-1-(4,5,5,6-tetramethylhept-6-en-2-yl)-1H,2H,3H,3bH,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthrene

1 reference

based on heuristic

inferred from SMILES

mass

482.448766476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₈O

0 references

canonical SMILES

O(C)C1CCC2(C3=CCC4(C)C(CCC4(C)C3CCC2C1(C)C)C(C)CC(C)C(C(=C)C)(C)C)C

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isomeric SMILES

C=C(C)C(C)(C)[C@@H](C)C[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](OC)CC[C@]4(C)C3=CC[C@]12C

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found in taxon

Clausena pentaphylla

1 reference

stated in

O-Methylclausenol - a C33 terpenoid from Clausena pentaphylla

Identifiers

InChI

InChI=1S/C34H58O/c1-22(2)30(5,6)24(4)21-23(3)25-15-19-34(11)27-13-14-28-31(7,8)29(35-12)17-18-32(28,9)26(27)16-20-33(25,34)10/h16,23-25,27-29H,1,13-15,17-21H2,2-12H3/t23-,24+,25+,27-,28+,29-,32-,33-,34+/m1/s1

0 references

InChIKey

MUSSAWVTYPNJCN-ALHIPXFTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MUSSAWVTYPNJCN-ALHIPXFTSA-N

(Q105172701)

(3R,5R,8S,10S,13R,14S,17S)-3-methoxy-4,4,10,13,14-pentamethyl-17-[(2R,4S)-4,5,5,6-tetramethylhept-6-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

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