(Q105248127)

English

[(1S,2R,3aR,4S,5S,6E,9S,10S,11S,12E,13aS)-3a,4,9,10,11-pentaacetyloxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

jatrophane diterpenoid

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mass

684.314576976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₈O₁₂

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canonical SMILES

O=C(OC1C2C=C(C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(C=CC(C)C(OC(=O)C)C2(OC(=O)C)CC1C)(C)C)C=3C=CC=CC3

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isomeric SMILES

CC(=O)O[C@H]1/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O

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found in taxon

Euphorbia platyphyllos

1 reference

stated in

Isolation and Structure Determination of New Jatrophane Diterpenoids fromEuphorbia platyphyllos L

Identifiers

InChI

InChI=1S/C37H48O12/c1-20-16-17-36(9,10)34(47-26(7)41)32(45-24(5)39)31(44-23(4)38)21(2)18-29-30(48-35(43)28-14-12-11-13-15-28)22(3)19-37(29,49-27(8)42)33(20)46-25(6)40/h11-18,20,22,29-34H,19H2,1-10H3/b17-16+,21-18+/t20-,22+,29-,30-,31-,32-,33-,34+,37+/m0/s1

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InChIKey

RYTCSZQAOPLOBB-YILSCWOESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RYTCSZQAOPLOBB-YILSCWOESA-N

1 reference

(Q105248127)

[(1S,2R,3aR,4S,5S,6E,9S,10S,11S,12E,13aS)-3a,4,9,10,11-pentaacetyloxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

Statements

Identifiers

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