(Q105387034)

English

(1R,3aR,5aR,5bR,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,10,11,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,10,11,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

422.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O

0 references

canonical SMILES

O=C1CCC2(C(=CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5=CC[C@]43C)[C@@H]12

0 references

found in taxon

Pleurostylia opposita

1 reference

stated in

Structures of four new oxygenated lupanes from Pleurostylia opposita(Celastraceae)

Identifiers

InChI

InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h12,20-21,23,25H,1,9-11,13-18H2,2-8H3/t20-,21+,23+,25+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

ZZTAMWAQHJYRNV-ONGMJTNISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZZTAMWAQHJYRNV-ONGMJTNISA-N

(Q105387034)

(1R,3aR,5aR,5bR,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,10,11,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one

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Identifiers

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