Chem
J-GLOBAL ID:200907017597764731   Nikkaji number:J691.576K

(2S)-2α,9-Dimethyl-8α-(1-methylethenyl)-2,3,3aβ,4,5,8,8aα,9,10,10a-decahydro-1H-9β,4aβ-(epoxymethano)benz[f]azulene-3α,4β,5α,10α,10aα-pentol 3-propanoate 5-benzoate 4,10-diacetate

(2S)-2α,9-ジメチル-8α-(1-メチルエテニル)-2,3,3aβ,4,5,8,8aα,9,10,10a-デカヒドロ-1H-9β,4aβ-(エポキシメタノ)ベンゾ[f]アズレン-3α,4β,5α,10α,10aα-ペンタオール3-プロパノアート5-ベンゾアート4,10-ジアセタート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C34H42O10
Molecular formula furigana: C34-H42-O10
Molecular weight: 610.700
InChI: InChI=1S/C34H42O10/c1-8-25(37)44-27-19(4)16-34(39)26(27)29(41-20(5)35)33-17-40-32(7,31(34)42-21(6)36)28(33)23(18(2)3)14-15-24(33)43-30(38)22-12-10-9-11-13-22/h9-15,19,23-24,26-29,31,39H,2,8,16-17H2,1,3-7H3/t19-,23+,24+,26+,27-,28-,29+,31-,32+,33+,34+/m0/s1
InChI key: ALVBKAVOAAMXPJ-DTIJCOPBSA-N
SMILES: CCC(=O)O[C@H]1[C@@H](C)C[C@@]2(O)[C@H]1[C@@H](OC(=O)C)[C@@]13CO[C@](C)([C@@H]1[C@H](C=C[C@H]3OC(=O)c1ccccc1)C(=C)C)[C@@H]2OC(=O)C
Systematic name  (3):
  • (2S)-2α,9-ジメチル-8α-(1-メチルエテニル)-2,3,3aβ,4,5,8,8aα,9,10,10a-デカヒドロ-1H-9β,4aβ-(エポキシメタノ)ベンゾ[f]アズレン-3α,4β,5α,10α,10aα-ペンタオール3-プロパノアート5-ベンゾアート4,10-ジアセタート
  • (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R)-2,8-ビス(アセチルオキシ)-7-ヒドロキシ-5,9-ジメチル-11-(プロパ-1-エン-2-イル)-4-(プロパノイルオキシ)-16-オキサテトラシクロ[7.5.2.01,10.03,7]ヘキサデカ-12-エン-14-イル ベンゾアート
  • (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R)-2,8-bis(acetyloxy)-7-hydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl benzoate
Other name (1):
  • (2S)-2α,9-Dimethyl-8α-(1-methylethenyl)-2,3,3aβ,4,5,8,8aα,9,10,10a-decahydro-1H-9β,4aβ-(epoxymethano)benz[f]azulene-3α,4β,5α,10α,10aα-pentol 3-propanoate 5-benzoate 4,10-diacetate
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