(Q105213833)

English

2-[(4aS,4bS,6aR,10aS,10bS,12aS)-4b,7,7,10a-tetramethyl-3-oxo-4,4a,5,6,6a,8,9,10,10b,11,12,12a-dodecahydrochrysen-2-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-(4b,7,7,10a-Tetramethyl-3-oxo-4,4a,5,6,6a,8,9,10,10b,11,12,12a-dodecahydrochrysen-2-yl)acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

372.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₃

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canonical SMILES

O=C(O)CC1=CC2CCC3C(C)(CCC4C(C)(C)CCCC43C)C2CC1=O

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isomeric SMILES

CC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4C=C(CC(=O)O)C(=O)C[C@@H]4[C@]3(C)CC[C@H]12

0 references

found in taxon

Petrosaspongia nigra

1 reference

stated in

New cytotoxic sesterterpenes from the New Caledonian marine sponge Petrosaspongia nigra (Bergquist)

Identifiers

InChI

InChI=1S/C24H36O3/c1-22(2)9-5-10-24(4)19(22)8-11-23(3)17-14-18(25)16(13-21(26)27)12-15(17)6-7-20(23)24/h12,15,17,19-20H,5-11,13-14H2,1-4H3,(H,26,27)/t15-,17-,19+,20-,23-,24-/m0/s1

0 references

InChIKey

PRNTZJVEEUQNTM-ZYDLNPGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PRNTZJVEEUQNTM-ZYDLNPGJSA-N

(Q105213833)

2-[(4aS,4bS,6aR,10aS,10bS,12aS)-4b,7,7,10a-tetramethyl-3-oxo-4,4a,5,6,6a,8,9,10,10b,11,12,12a-dodecahydrochrysen-2-yl]acetic acid

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